CAS 85633-96-1

4-Chloro-β-methyl-3-nitro-γ-oxobenzenebutanoic acid

Description:

4-Chloro-β-methyl-3-nitro-γ-oxobenzenebutanoic acid, with the CAS number 85633-96-1, is a chemical compound that belongs to the class of substituted benzenes. It features a chloro group, a nitro group, and a keto functional group, which contribute to its reactivity and potential applications in organic synthesis. The presence of the β-methyl group indicates a branched structure, which can influence its physical properties, such as solubility and melting point. This compound is likely to exhibit moderate to high polarity due to the presence of both the nitro and carboxylic acid functional groups, making it soluble in polar solvents. Additionally, the chloro substituent can enhance electrophilic reactivity, making it a useful intermediate in various chemical reactions. The compound may also exhibit biological activity, which could be of interest in pharmaceutical research. However, specific safety and handling guidelines should be followed due to the potential toxicity associated with nitro and chloro compounds.

Formula: C₁₁H₁₀ClNO₅

InChI: InChI=1S/C11H10ClNO5/c1-6(4-10(14)15)11(16)7-2-3-8(12)9(5-7)13(17)18/h2-3,5-6H,4H2,1H3,(H,14,15)

InChI key: InChIKey=ZDGKTISONWFCDF-UHFFFAOYSA-N

SMILES: C(C(CC(O)=O)C)(=O)C1=CC(N(=O)=O)=C(Cl)C=C1

Synonyms:

• Benzenebutanoic acid, 4-chloro-β-methyl-3-nitro-γ-oxo-
• 3-Methyl-4-oxo-4-(3′-nitro-4′-chloro-phenyl)-butyric acid
• 4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid
• 4-Chloro-β-methyl-3-nitro-γ-oxobenzenebutanoic acid

4-(4-chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid

CAS: 85633-96-1

Formula: C₁₁H₁₀ClNO₅

Purity: 95.0%

Molecular weight: 271.65

Ref: 10-F314606